(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride

C11H15ClF2N2O2 — CID 119341255

IUPAC(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccccc1OCC(F)F.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-7(14)11(16)15-8-4-2-3-5-9(8)17-6-10(12)13;/h2-5,7,10H,6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyGWVADUJUQPDJKL-FJXQXJEOSA-N
MW280.70 g/mol
LogP2.04
Rot. Bonds5

About (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119341255) has the molecular formula C11H15ClF2N2O2 and a molecular weight of 280.70 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
PubChem CID119341255
Molecular FormulaC11H15ClF2N2O2
Molecular Weight280.70 g/mol
Exact Mass280.08
IUPAC Name(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccccc1OCC(F)F.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-7(14)11(16)15-8-4-2-3-5-9(8)17-6-10(12)13;/h2-5,7,10H,6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyGWVADUJUQPDJKL-FJXQXJEOSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122086894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride (CID 119341255) is (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccccc1OCC(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is GWVADUJUQPDJKL-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14F2N2O2.ClH/c1-7(14)11(16)15-8-4-2-3-5-9(8)17-6-10(12)13;/h2-5,7,10H,6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 280.70 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119341255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).